Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for (Study ST004291)

(Analysis AN007135)

Metabolite	Structure	F1	F2	F3
Arabitol	ME1165355	2.05	0.53	0.53
thiomethyl glutamate	ME1165353	1.93	0.56	0.61
Dihydroxyacetone phosphate	ME1165354	1.89	0.63	0.58
Hydrogen phosphate	ME1165352	1.88	0.60	0.62
N5-acetyl-N5-hydroxy-L-ornithine	ME1165351	1.65	0.70	0.72
3-amino-2,3-dideoxy-scyllo-inosose	ME1165348	1.52	0.62	0.89
Sulfacetamide	ME1165350	1.61	0.54	0.79
indole-3-acetonitrile oxide	ME1165179	1.16	0.42	1.33
Alanyl-Proline	ME1165129	0.87	0.68	1.36
3-nitro-2-pentanol	ME1165122	0.79	0.57	1.51
Isonicotineamide	ME1165123	0.80	0.65	1.44
Histidine trimethylbetaine	ME1165119	0.58	0.89	1.42
Ala/Lys/Lys/Asp	ME1165120	0.72	0.80	1.33
Guanine	ME1165121	0.71	0.79	1.41
C17 Sphinganine	ME1165214	0.80	1.37	0.87
Type IV cyanolipid 16:0 ester	ME1165124	0.70	1.40	0.94
6-Acetamido-3-aminohexanoate	ME1165349	1.46	0.77	0.81
(2,6-anhydro-3-deoxy-D-arabino-heptulopyranosid)onate 7-phosphate	ME1165347	1.38	0.85	0.82
2,6-dideoxy-2-acetamidino--L-galactose	ME1165345	1.37	0.80	0.86
Xylose	ME1165346	1.40	0.75	0.88
3-Carboxy-4-methoxy-N-methyl-2-pyridone	ME1165337	1.18	0.94	0.91
Dethiobiotin	ME1165267	1.24	0.93	0.91
N-Stearoyl tyrosine	ME1165341	1.21	0.92	0.90
Creatinine	ME1165326	1.14	0.94	0.94
Hydroxyhexanoycarnitine	ME1165323	1.14	0.92	0.96
casuarine	ME1165333	1.19	0.88	0.94
Adenosine monophosphate	ME1165328	1.16	0.91	0.95
phenyl sulfoxide	ME1165331	1.17	0.89	0.95
Glu/Met/Ser	ME1165344	1.30	0.87	0.86
6-amino-6-deoxyfutalosine	ME1165343	1.31	0.78	0.93
Asp/Cys/Cys/Ser	ME1165272	1.33	0.81	0.96
Ile/Cys/Gly	ME1165334	1.22	0.85	0.95
Lysyl-Proline	ME1165196	1.20	0.86	0.99
Glucose 6-phosphate	ME1165340	1.26	0.81	0.94
Pyridoxal	ME1165332	1.24	0.79	0.98
N-(docosanoyl)-tetradecasphing-4-enine-1-phosphoethanolamine	ME1165339	1.09	1.15	0.81
Methocarbamol	ME1165321	0.99	1.20	0.84
2-Oxoarginine	ME1165260	0.94	1.16	0.92
1-Pyrroline-2-carboxylic acid	ME1165278	0.96	1.14	0.92
Longifolonine	ME1165279	0.97	1.13	0.92
Resveratrol 4^-(6-galloylglucoside)	ME1165137	0.76	1.17	1.06
PE(19:1/0:0)	ME1165136	0.79	1.08	1.11
6-Methyltetrahydropterin	ME1165141	0.82	1.03	1.12
Temurin	ME1165138	0.82	1.00	1.14
N3-hydroxyethylcytosine	ME1165126	0.76	0.95	1.24
Pipecolic acid	ME1165131	0.78	0.97	1.20
Histidinyl-Leucine	ME1165133	0.83	0.91	1.21
Homocarnosine	ME1165134	0.84	0.89	1.21
3,4,5-trihydroxy-6-[(3-methoxy-3-oxopropanoyl)oxy]oxane-2-carboxylic acid	ME1165139	0.84	0.94	1.17
Arg-OEt	ME1165135	0.82	0.97	1.17
LysoPC(P-16:0)	ME1165171	0.93	0.95	1.10
6-(L-Erythro-1,2-Dihydroxypropyl)-5,6,7,8-tetrahydro-4a-hydroxypterin	ME1165130	0.93	0.94	1.09
3-(2-propenoic acid)-4,6-hydroxy cyclohexa-2,5-dienone	ME1165180	0.94	0.95	1.09
Tryptophan	ME1165174	0.93	0.95	1.09
LysoPE(18:1)	ME1165182	0.94	0.96	1.08
Asparaginyl-Proline	ME1165178	0.93	0.98	1.08
Ile/Ile/Pro	ME1165177	0.93	0.97	1.08
Glycerophosphocholine	ME1165207	0.98	0.93	1.07
Ile/Lys/Pro	ME1165212	0.99	0.93	1.07
xi-4,5-Dihydro-2,4(5)-dimethyl-1H-imidazole	ME1165192	0.96	0.95	1.07
MES	ME1165187	0.96	0.93	1.09
2-Palmitoylglycerophosphocholine	ME1165191	0.96	0.94	1.08
N,N,N-Trimethylethenaminium	ME1165194	0.97	0.94	1.08
4-Aminobutyraldehyde	ME1165208	0.97	0.96	1.05
5^-amino-5^-deoxyuridine	ME1165211	0.97	0.97	1.05
PC(14:1)	ME1165201	0.96	0.97	1.06
2-Acetyl-1,5,6,7-tetrahydro-6-hydroxy-7-(hydroxymethyl)-4H-azepine-4-one	ME1165200	0.96	0.96	1.06
Aminohydroquinone	ME1165210	0.97	0.96	1.06
Glutamylproline	ME1165203	0.97	0.96	1.06
PE(15:0/20:0)	ME1165193	0.94	0.99	1.05
2-Oleoylglycerophosphocholine	ME1165185	0.94	0.98	1.06
4-(1-methyl-5-hydroxy-2-pyrrolidinyl)-3-oxobutanoate methyl ester	ME1165199	0.95	0.98	1.05
SM(d18:1/16:0)	ME1165144	0.87	0.93	1.16
Cyclic ADP-ribose	ME1165147	0.88	0.94	1.14
Ne,Ne dimethyllysine	ME1165148	0.89	0.92	1.15
Asp/Asp/Pro/Ser/Trp	ME1165155	0.89	0.97	1.11
gamma-Aminobutyric acid	ME1165152	0.89	0.95	1.13
Jasminine	ME1165154	0.88	0.96	1.12
LysoPE(0:0/20:4)	ME1165157	0.91	0.94	1.13
Aspartyl-L-proline	ME1165159	0.91	0.95	1.11
Glutathione	ME1165161	0.91	0.96	1.11
Thr/Trp/Cys	ME1165231	0.91	0.90	1.19
5^-Methylthioadenosine	ME1165146	0.89	0.89	1.17
tyrosinal	ME1165153	0.91	0.89	1.16
Diphthamide	ME1165166	0.95	0.88	1.14
Pyridoxine	ME1165164	0.95	0.88	1.14
2-Deoxy-2,3-dehydro-N-acetylneuraminic acid	ME1165172	0.95	0.90	1.12
Phosphorylcholine	ME1165162	0.93	0.91	1.13
N6,N6,N6-Trimethyl-L-lysine	ME1165169	0.93	0.93	1.11
LysoPC(P-18:0)	ME1165175	0.94	0.92	1.11
Viridiflorin	ME1165170	0.94	0.92	1.12
Ectoine	ME1165167	0.87	1.08	1.04
Dopa	ME1165190	0.93	1.02	1.04
PC(DiMe(9,3)/DiMe(9,3))	ME1165189	0.92	1.02	1.04
Pyrophosphate	ME1165181	0.91	1.04	1.04
Tiglylcarnitine	ME1165186	0.92	1.04	1.04
5-Nitro-2-(3-phenylpropylamino)benzoic acid	ME1165173	0.91	0.99	1.08
7-Dehydrocholesterol	ME1165160	0.89	1.01	1.08
Cys/Asp/Phe/His/Pro	ME1165165	0.89	1.03	1.06
N-Acetyl-L-glutamate 5-semialdehyde	ME1165176	0.90	1.02	1.06
3-Amino-2-oxopropyl phosphate	ME1165205	0.89	1.14	0.97
aminooctadecane-diol	ME1165230	0.96	1.04	1.00
SM(d42:3)	ME1165219	0.94	1.05	1.00
6-Thioinosinic acid	ME1165233	0.93	1.11	0.97
Gentioflavine	ME1165213	0.92	1.08	1.00
LysoPC(O-18:0)	ME1165220	0.93	1.08	0.99
Pro/Thr/Thr/Ser	ME1165223	0.93	1.08	0.99
benzalkonium	ME1165293	1.01	1.07	0.94
3-Butynoate	ME1165327	1.09	1.04	0.90
3-Dehydrosphinganine	ME1165320	1.07	1.03	0.91
Met/Ala/Gly	ME1165319	1.07	1.04	0.91
Otonecine	ME1165316	1.07	1.02	0.93
Myxochelin A	ME1165310	1.05	1.02	0.94
O-Succinyl-L-homoserine	ME1165311	1.06	1.02	0.94
Stearoylcarnitine	ME1165308	1.06	1.02	0.94
(3,4,5,6-tetrahydroxyoxan-2-yl)methyl acetate	ME1165305	1.04	1.04	0.94
penem CGP31608	ME1165318	1.05	1.06	0.91
LysoPC(20:0/0:0)	ME1165313	1.05	1.05	0.92
SM(d18:0/22:1)	ME1165314	1.05	1.05	0.92
(4-Hydroxybenzoyl)choline	ME1165324	1.12	0.97	0.93
Valerylcarnitine	ME1165330	1.14	0.96	0.92
Gamma-linolenyl carnitine	ME1165329	1.11	1.01	0.91
Oleoylcarnitine	ME1165325	1.11	0.99	0.92
Palmitoylcarnitine	ME1165322	1.10	0.99	0.93
N-(2,5-Dihydroxyphenyl)pyridinium(1+)	ME1165336	1.12	1.04	0.87
Lenticin	ME1165338	1.15	1.00	0.87
Linoelaidyl carnitine	ME1165335	1.14	1.01	0.88
Citrulline	ME1165273	1.12	0.79	1.07
But-2-enoic acid	ME1165283	1.10	0.84	1.04
Ala/Val/Gly/Pro	ME1165150	1.11	0.84	1.07
Hippuric acid	ME1165268	1.09	0.84	1.06
Maleic acid homopolymer	ME1165240	1.05	0.86	1.07
Isoleucyl-Alanine	ME1165246	1.04	0.90	1.05
toxoflavin	ME1165250	1.05	0.89	1.05
Adenosine	ME1165261	1.06	0.88	1.05
CMP-N-trimethyl-2-aminoethylphosphonate	ME1165248	1.05	0.88	1.06
Glutamic acid	ME1165204	0.99	0.91	1.08
N-Acetylleucine	ME1165202	0.99	0.91	1.08
1-Nitrohexane	ME1165209	1.00	0.90	1.08
Arginine	ME1165197	0.99	0.90	1.09
Gluconolactone	ME1165222	1.00	0.92	1.06
Tyrosine	ME1165218	1.01	0.90	1.07
P-DPD	ME1165224	1.01	0.91	1.06
Adenine	ME1165234	1.02	0.91	1.06
Ornithine	ME1165235	1.02	0.91	1.06
Mycinose	ME1165227	1.03	0.87	1.08
4-methylmorpholine N-oxide	ME1165215	1.01	0.88	1.08
Methionine	ME1165221	1.02	0.88	1.08
Theanine	ME1165226	1.02	0.88	1.08
Glucose oxime	ME1165198	1.00	0.87	1.10
Dihydrothymine	ME1165188	0.98	0.88	1.11
N-acetyl -D- glucosaminitol	ME1165195	0.99	0.88	1.10
Ala/Ile/Pro/Pro/Ser	ME1165275	1.03	0.98	0.99
DG(20:1/16:1/0:0)	ME1165149	1.03	0.99	0.99
Heptadecanoyl carnitine	ME1165280	1.03	0.99	0.98
SM(d18:1/18:0)	ME1165288	1.04	0.99	0.98
3^-Methoxyfukiic acid	ME1165263	1.00	1.02	0.98
PE(22:4/P-18:1)	ME1165264	1.01	1.01	0.98
SM(d18:2/24:0)	ME1165276	1.02	1.01	0.98
Butyrylcarnitine	ME1165270	1.02	1.00	0.99
Imidazoleacetic acid	ME1165257	1.01	1.00	0.99
LysoPC(15:0)	ME1165255	1.00	1.01	0.99
SM(d16:1/24:1)	ME1165258	1.01	1.01	0.99
5a-Cholesta-8,24-dien-3-one	ME1165229	0.97	1.00	1.02
4-Guanidinobutanoic acid	ME1165249	1.00	0.99	1.01
1-octyl-2-octyl-sn-glycero-3-phosphocholine	ME1165244	1.00	0.98	1.02
3-Hydroxyisovalerylcarnitine	ME1165245	1.00	0.98	1.01
PC methyl(16:0)	ME1165243	1.00	0.98	1.01
3-Ethylmalate	ME1165238	1.00	0.97	1.03
aminocaproamide	ME1165237	1.00	0.96	1.03
Asp/Val/Pro/Ser	ME1165142	1.01	0.95	1.03
LysoPC(18:0)	ME1165252	1.02	0.96	1.02
N-(tricosanoyl)-tetradecasphingadienine-1-phosphoethanolamine	ME1165225	0.98	0.97	1.03
Threonine	ME1165232	0.99	0.96	1.04
N-acetyl-demethylphophinothricin	ME1165228	0.99	0.95	1.04
SM(d18:1/18:1)	ME1165217	0.99	0.95	1.05
Pentadecanoylcarnitine	ME1165300	1.07	0.96	0.98
Methacholine	ME1165302	1.07	0.96	0.97
PE(18:3/P-18:1)	ME1165306	1.07	0.97	0.97
Biotin amide	ME1165299	1.06	0.98	0.97
Alanine	ME1165307	1.07	0.98	0.96
3-acetamido-3,6-dideoxy-D-galactose	ME1165304	1.06	0.98	0.96
Creatine	ME1165303	1.06	0.98	0.96
Hydroxybutyrylcarnitine	ME1165289	1.05	0.98	0.98
Thr/Ala/Ala	ME1165295	1.05	0.99	0.97
Cholesteryl acetate	ME1165309	1.09	0.94	0.97
mycaminose	ME1165312	1.09	0.95	0.96
trans-Hexadec-2-enoyl carnitine	ME1165317	1.10	0.96	0.95
Indole	ME1165342	1.08	0.97	0.96
N-stearoyl serine	ME1165315	1.09	0.97	0.95
Neotussilagine	ME1165269	1.06	0.90	1.03
3,5-Dichloro-4-hydroxyphenylpyruvate	ME1165282	1.07	0.91	1.01
2-Hydroxy-3-(phosphonatooxy)propanoate	ME1165291	1.09	0.89	1.02
4a-Hydroxytetrahydrobiopterin	ME1165284	1.08	0.90	1.02
Linamarin	ME1165290	1.08	0.90	1.01
Febrifugine	ME1165163	1.11	0.91	1.00
6,7-Dimethyl-8-(1-D-ribityl)lumazine	ME1165156	1.08	0.93	1.01
2-amino-3,7-dideoxy-D-threo-hept-6-ulosonate	ME1165301	1.09	0.92	0.99
Acetylcholine	ME1165294	1.07	0.94	0.99
Propionylcarnitine	ME1165297	1.08	0.93	0.99
Lotaustralin	ME1165298	1.08	0.93	0.99
Methionine sulfoxide	ME1165296	1.08	0.93	0.99
Phenylalanyl-Aspartate	ME1165281	1.05	0.95	1.00
PE(14:0/20:3)	ME1165287	1.06	0.96	0.99
2,4-pentadienoic acid	ME1165292	1.06	0.95	0.99
D-desosamine	ME1165285	1.06	0.95	1.00
N-Acetyllactosamine	ME1165274	1.05	0.94	1.01
Selenium Sulfide	ME1165286	1.06	0.94	1.00
Thiamine	ME1165277	1.04	0.96	1.00
8-Amino-7-oxononanoate	ME1165266	1.04	0.95	1.01
Glutamine	ME1165254	1.03	0.95	1.02
Isoleucylproline	ME1165241	1.02	0.94	1.03
beta-aspartyl-L-leucine	ME1165251	1.03	0.93	1.03
PA(43:4)	ME1165143	1.03	0.94	1.03
N-Acetyl-D-glucosamine	ME1165239	1.02	0.93	1.04
N-acetyl-L-2-aminoadipate(2-)	ME1165236	1.01	0.93	1.05
5-Amino-3-oxohexanoate	ME1165271	1.05	0.92	1.02
Slaframine	ME1165265	1.05	0.93	1.02
Muramic acid	ME1165256	1.04	0.93	1.03
glutaramate	ME1165259	1.04	0.93	1.02
Pantothenic acid	ME1165262	1.04	0.93	1.02
3-Hydroxy-N6,N6,N6-trimethyl-L-lysine	ME1165253	1.04	0.91	1.03
Proline	ME1165242	1.03	0.92	1.04
Asn/Leu/Pro/Pro	ME1165132	1.02	0.84	1.12
potassium dihydrogen phosphate	ME1165216	1.03	0.84	1.10
Ala/Ala/Ala/Ser	ME1165206	1.04	0.80	1.13
Hydroxyprolyl-Valine	ME1165184	1.01	0.81	1.14
Ala/Leu/Asn/Pro	ME1165125	0.92	0.83	1.19
Ile/Cys/Phe	ME1165168	0.98	0.80	1.17
Prekinamycin	ME1165128	0.98	0.83	1.15
2^-deamino-2^-hydroxy-6^-dehydroparomamine	ME1165158	0.95	0.83	1.17
Ala/Glu/Glu/His	ME1165127	0.96	0.83	1.16
Adenosine triphosphate	ME1165151	0.98	0.71	1.25
Oxidized glutathione	ME1165183	1.06	0.68	1.21
Cysteinyl-Tyrosine	ME1165247	1.15	0.64	1.16
Lysyl-Valine	ME1165140	1.12	0.71	1.16
Plaunol D	ME1165145	1.14	0.75	1.12

Factors:

F1	Sample source:iRBC \| factor:DMSO
F2	Sample source:iRBC \| factor:WEHI-024
F3	Sample source:iRBC \| factor:WEHI-601

Data matrix